lithium 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile

C14H20LiNOSi — CID 134947291

IUPAClithium 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile
SMILESCC(C)(C)[Si](C)(C)O[C-](C#N)c1ccccc1.[Li+]
InChIInChI=1S/C14H20NOSi.Li/c1-14(2,3)17(4,5)16-13(11-15)12-9-7-6-8-10-12;/h6-10H,1-5H3;/q-1;+1
InChIKeyWXOFOYVPKYJQCT-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.12
Rot. Bonds3

About lithium 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile

lithium 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile (PubChem CID 134947291) has the molecular formula C14H20LiNOSi and a molecular weight of 253.35 g/mol. Its IUPAC name is lithium 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile.

Molecular Properties

Compound Namelithium 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile
PubChem CID134947291
Molecular FormulaC14H20LiNOSi
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Namelithium 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile
SMILESCC(C)(C)[Si](C)(C)O[C-](C#N)c1ccccc1.[Li+]
InChIInChI=1S/C14H20NOSi.Li/c1-14(2,3)17(4,5)16-13(11-15)12-9-7-6-8-10-12;/h6-10H,1-5H3;/q-1;+1
InChIKeyWXOFOYVPKYJQCT-UHFFFAOYSA-N
XLogP1.12
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Benzene, [1-[(trimethylsilyl)oxy]ethenyl]-
CID 117406
2-Phenyl-2-((trimethylsilyl)oxy)acetonitrile
CID 605484
Silane, triethyl(phenylmethoxy)-
CID 563229
Silane, trimethyl(1-phenylethoxy)-
CID 519015
1-Propanol, 1-phenyl, TMS
CID 530376
4-Cyano-1-Dimethyl(tert-butyl)silyloxybenzene
CID 532657
Silane, (1,1-dimethylethyl)dimethyl(phenylmethoxy)-
CID 596642
2-(4-Fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11368390
2-(4-Fluorophenyl)-2-[(trimethylsilyl)oxy]acetonitrile
CID 11715552
2-[4-(Trifluoromethyl)phenyl]-2-trimethylsilyloxyacetonitrile
CID 11818146
2-Fluorophenyl(trimethylsilyloxy)acetonitrile
CID 11955040
(2,2-Difluoro-1-phenylethenoxy)-triethylsilane
CID 86202288

Frequently Asked Questions

What is the IUPAC name of lithium 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile?
The IUPAC name of lithium 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile (CID 134947291) is lithium 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile.
What is the SMILES notation for lithium 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile?
The canonical SMILES for lithium 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile is CC(C)(C)[Si](C)(C)O[C-](C#N)c1ccccc1.[Li+].
What is the InChIKey of lithium 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile?
The InChIKey is WXOFOYVPKYJQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20NOSi.Li/c1-14(2,3)17(4,5)16-13(11-15)12-9-7-6-8-10-12;/h6-10H,1-5H3;/q-1;+1.
What are the key properties of lithium 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile?
lithium 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile has a molecular weight of 253.35 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-[tert-butyl(dimethyl)silyl]oxy-2-phenylacetonitrile is sourced from PubChem (CID 134947291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).